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Information card for entry 4036288
Preview
Coordinates | 4036288.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H22 F N3 O3 |
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Calculated formula | C25 H22 F N3 O3 |
SMILES | Fc1ccc([C@H]2CNC(=O)[C@]32N[C@@H]([C@H](N(=O)=O)[C@H]3c2ccccc2)c2ccccc2)cc1 |
Title of publication | Enantiodivergent Synthesis of Bis-Spiropyrrolidines via Sequential Interrupted and Completed (3 + 2) Cycloadditions. |
Authors of publication | Conde, Egoitz; Rivilla, Iván; Larumbe, Amaia; Cossío, Fernando P |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2015 |
Journal volume | 80 |
Journal issue | 23 |
Pages of publication | 11755 - 11767 |
a | 14.3132 ± 0.0002 Å |
b | 6.5406 ± 0.0001 Å |
c | 22.9007 ± 0.0003 Å |
α | 90° |
β | 90.404 ± 0.001° |
γ | 90° |
Cell volume | 2143.84 ± 0.05 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0409 |
Residual factor for significantly intense reflections | 0.0367 |
Weighted residual factors for significantly intense reflections | 0.0896 |
Weighted residual factors for all reflections included in the refinement | 0.0938 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4036288.html
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